Valproyl-CoA

Type : CoA,Sulfur Compound,Purine

Chemical_Nomenclature : S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 2-propylpentanethioate

Canonical SMILES : CCCC(CCC)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O

InChI : InChI=1S\/C29H50N7O17P3S\/c1-5-7-17(8-6-2)28(41)57-12-11-31-19(37)9-10-32-26(40)23(39)29(3,4)14-50-56(47,48)53-55(45,46)49-13-18-22(52-54(42,43)44)21(38)27(51-18)36-16-35-20-24(30)33-15-34-25(20)36\/h15-18,21-23,27,38-39H,5-14H2,1-4H3,(H,31,37)(H,32,40)(H,45,46)(H,47,48)(H2,30,33,34)(H2,42,43,44)\/t18-,21-,22-,23?,27-\/m1\/s1

InChIKey : UCIOSJWVYJWBEO-XJJJFWNASA-N

Other name(s) : Valproic acid CoA,{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({[hydroxy(3-hydroxy-2,2-dimethyl-3-{[2-({2-[(2-propylpentanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy)phosphoryl]oxy})phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid,2-propylpentanoyl CoA,2-propylpentanoyl Coenzyme A

MW : 893.7

Formula : C29H50N7O17P3S

CAS_number :

PubChem : 10463441

UniChem : UCIOSJWVYJWBEO-XJJJFWNASA-N

IUPHAR :

Wikipedia :

Families : Valproyl-CoA ligand of proteins in family: Carb_B_Chordata

Stucture :

Protein : human-CES1